3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C15H16ClNO2S — CID 4796698

IUPAC3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c1-12-6-3-4-7-13(12)11-17(2)20(18,19)15-9-5-8-14(16)10-15/h3-10H,11H2,1-2H3
InChIKeyAMEUHZQLUCMVRU-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 4796698) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID4796698
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c1-12-6-3-4-7-13(12)11-17(2)20(18,19)15-9-5-8-14(16)10-15/h3-10H,11H2,1-2H3
InChIKeyAMEUHZQLUCMVRU-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-methyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-disulfonamide
CID 31070038
N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
CID 87024621
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 17410036
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 39795407
3-chloro-N,4-dimethyl-N-[(2-methylphenyl)methyl]-5-nitrobenzenesulfonamide
CID 8796570
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
N-methyl-4-(methylamino)-N-[(2-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 7891521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 4796698) is 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is AMEUHZQLUCMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-12-6-3-4-7-13(12)11-17(2)20(18,19)15-9-5-8-14(16)10-15/h3-10H,11H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4796698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).